CID 11052523

2,5-dimethoxy-4-prop-2-enylphenol

Structural Information

Molecular Formula
C11H14O3
SMILES
COC1=CC(=C(C=C1CC=C)OC)O
InChI
InChI=1S/C11H14O3/c1-4-5-8-6-11(14-3)9(12)7-10(8)13-2/h4,6-7,12H,1,5H2,2-3H3
InChIKey
WPWFNFQROATLTG-UHFFFAOYSA-N
Compound name
2,5-dimethoxy-4-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

194.0943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 139.9
[M+Na]+ 217.083518 149.1
[M-H]- 193.087024 142.9
[M+NH4]+ 212.128123 159.5
[M+K]+ 233.057458 146.9
[M+H-H2O]+ 177.091560 134.6
[M+HCOO]- 239.092501 163.2
[M+CH3COO]- 253.108151 183.4
[M+Na-2H]- 215.068966 144.6
[M]+ 194.09375142 143.6
[M]- 194.09484858 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe